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Molecule
Bis(2-Methoxyethyl)Amine
CAS: 111-95-5 · C6H15NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 111-95-5
- Molecular Formula
- C6H15NO2
- Molecular Mass
- 133.19 g/mol
Identifiers
CAS Registry Number
111-95-5
SMILES
COCCNCCOC
InChI Key
IBZKBSXREAQDTO-UHFFFAOYSA-N
InChI
InChI=1S/C6H15NO2/c1-8-5-3-7-4-6-9-2/h7H,3-6H2,1-2H3
Names and Synonyms
- Bis(2-Methoxyethyl)Amine Common Name
- Ethanamine, 2-methoxy-N-(2-methoxyethyl)- Synonym
- 2-Methoxy-N-(2-methoxyethyl)ethanamine Synonym
- 2,2′-Dimethoxydiethylamine Synonym
- Bis(2-methoxyethyl)amine Synonym
- N,N-Bis(2-methoxyethyl)amine Synonym
- Di(2-methoxyethyl)amine Synonym
- NSC 78431 Synonym
- Diethylamine, 2,2′-dimethoxy- Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 133.19 g/mol | CAS Common Chemistry |
| 133.191 g/mol | RDKit | |
| Boiling Point | 169-170 °C | CAS Common Chemistry |
| Canonical SMILES | O(C)CCNCCOC | CAS Common Chemistry |
| InChI | InChI=1S/C6H15NO2/c1-8-5-3-7-4-6-9-2/h7H,3-6H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IBZKBSXREAQDTO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Bis(2-methoxyethyl)amine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 30.49 Ų | RDKit |
| LogP | -0.1312000000000002 | RDKit |
| -0.1312 | RDKit | |
| Molar Refractivity | 36.621700000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 133.11027872 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 133.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H15NO2.
